[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

C17H16ClNO2 — CID 175568823

IUPAC[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESNC(=O)OC1CCCc2ccc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H16ClNO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-16(15(12)10-13)21-17(19)20/h4-10,16H,1-3H2,(H2,19,20)
InChIKeyRRLUIPIBHPZZJW-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.48
Rot. Bonds2

About [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (PubChem CID 175568823) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
PubChem CID175568823
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESNC(=O)OC1CCCc2ccc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H16ClNO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-16(15(12)10-13)21-17(19)20/h4-10,16H,1-3H2,(H2,19,20)
InChIKeyRRLUIPIBHPZZJW-UHFFFAOYSA-N
XLogP4.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296823
[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296578
[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568925
[6-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568904
[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568706
[6-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568957
4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
CID 82541831
[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294881
[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568722
[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296693
[7-(3-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252999
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-4-fluorobenzoate
CID 61279911

Frequently Asked Questions

What is the IUPAC name of [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The IUPAC name of [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (CID 175568823) is [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.
What is the SMILES notation for [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The canonical SMILES for [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is NC(=O)OC1CCCc2ccc(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The InChIKey is RRLUIPIBHPZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-16(15(12)10-13)21-17(19)20/h4-10,16H,1-3H2,(H2,19,20).
What are the key properties of [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate has a molecular weight of 301.77 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is sourced from PubChem (CID 175568823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).